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cond-mat.mtrl-sci2017★ 21 cited
Simulating complex crystal structures using the phase-field crystal model
Eli Alster, David Montiel, Katsuyo Thornton +1
We introduce a phase-field crystal model that creates an array of complex three- and two-dimensional crystal structures via a numerically tractable three-point correlation function…
cond-mat.mtrl-sci2015
Thermodynamic Relationships for Bulk Crystalline and Liquid Phases in the Phase-Field Crystal Model
Victor W. L. Chan, Nirand Pisutha-Arnond, Katsuyo Thornton
We present thermodynamic relationships between the free energy of the phase-field crystal (PFC) model and thermodynamic state variables for bulk phases under hydrostatic pressure.…